2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole

C10H14N6 — CID 126900246

IUPAC2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
SMILESCn1ncc(CN2CC(n3cccn3)C2)n1
InChIInChI=1S/C10H14N6/c1-14-12-5-9(13-14)6-15-7-10(8-15)16-4-2-3-11-16/h2-5,10H,6-8H2,1H3
InChIKeyBPIZFWOIPFFIIF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.07
Rot. Bonds3

About 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole

2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole (PubChem CID 126900246) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole.

Molecular Properties

Compound Name2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
PubChem CID126900246
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
SMILESCn1ncc(CN2CC(n3cccn3)C2)n1
InChIInChI=1S/C10H14N6/c1-14-12-5-9(13-14)6-15-7-10(8-15)16-4-2-3-11-16/h2-5,10H,6-8H2,1H3
InChIKeyBPIZFWOIPFFIIF-UHFFFAOYSA-N
XLogP0.07
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole?
The IUPAC name of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole (CID 126900246) is 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole.
What is the SMILES notation for 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole?
The canonical SMILES for 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole is Cn1ncc(CN2CC(n3cccn3)C2)n1.
What is the InChIKey of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole?
The InChIKey is BPIZFWOIPFFIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-14-12-5-9(13-14)6-15-7-10(8-15)16-4-2-3-11-16/h2-5,10H,6-8H2,1H3.
What are the key properties of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole?
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole has a molecular weight of 218.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole is sourced from PubChem (CID 126900246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).